Geometry & MOs

Info

ID:	138198
PubChem CID:	52327200
Reduced:	SN3O3H15C16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	414.180424
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	5.53
IP(EA), eV:	-9.08(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-acetamido-3-methylpyrazol-1-yl)phenyl]-2,3-dimethylquinoxaline-6-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations